Crystal structure of cis-diamminebis(nitrito-κN)platinum(II)

The Pt^II atoms are coordinated in a square-planar fashion. Extensive N—H...O bonding between neighbouring mol­ecules results in an hydrogen-bonded framework which has the hxl topology.

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean [sigma](O-N) = 0.005 Å
• R factor = 0.018
• wR factor = 0.044
• Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT430_ALERT_2_C Short Inter D...A Contact  O2     ..  O2      ..       2.86 Ang.
PLAT975_ALERT_2_C Check Calcd Residual Density  0.77A From      N3       0.55 eA-3
PLAT975_ALERT_2_C Check Calcd Residual Density  0.93A From      N3       0.45 eA-3
PLAT975_ALERT_2_C Check Calcd Residual Density  0.86A From      O2       0.44 eA-3
PLAT975_ALERT_2_C Check Calcd Residual Density  1.03A From      O4       0.43 eA-3
PLAT975_ALERT_2_C Check Calcd Residual Density  0.91A From      O4       0.43 eA-3
PLAT976_ALERT_2_C Check Calcd Residual Density  1.06A From      N3      -0.48 eA-3

Alert level G
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          6 Report
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Th(Min) ...          2 Report

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   7 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   2 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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Computing details

Data collection: CrysAlis PRO (Agilent, 2014); cell refinement: CrysAlis PRO (Agilent, 2014); data reduction: CrysAlis PRO (Agilent, 2014); program(s) used to solve structure: SIR2002 (Burla et al., 2003); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: ATOMS for Windows (Dowty, 2011), ORTEP-3 for Windows (Farrugia, 2012), Mercury (Macrae et al., 2006) and TOPOS (Blatov, 2006); software used to prepare material for publication: PLATON (Spek, 2009), publCIF (Westrip, 2010) and WinGX (Farrugia, 2012).

i>cis-Diamminebis(nitrito-κN)platinum(II)

Crystal data

[Pt(NO2)2(NH3)2]	F(000) = 576
Mr = 321.18	Dx = 3.701 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 6.8656 (5) Å	Cell parameters from 2142 reflections
b = 12.6428 (8) Å	θ = 3.5–28.5°
c = 7.0931 (5) Å	µ = 24.30 mm^−1
β = 110.579 (8)°	T = 173 K
V = 576.40 (7) Å^3	Thin plate, yellow
Z = 4	0.20 × 0.12 × 0.02 mm

Data collection

Agilent Xcalibur (Ruby, Gemini ultra) diffractometer	1061 independent reflections
Radiation source: sealed tube	972 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.031
Detector resolution: 10.3575 pixels mm^-1	θmax = 25.4°, θmin = 3.5°
ω scans	h = −8→7
Absorption correction: analytical [CrysAlis PRO (Agilent, 2014), based on expressions derived by Clark & Reid (1995)]	k = −11→15
Tmin = 0.036, Tmax = 0.609	l = −6→8
3435 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.018	H-atom parameters constrained
wR(F^2) = 0.044	w = 1/[σ^2(Fo^2) + (0.0222P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.002
1061 reflections	Δρmax = 1.02 e Å^−3
85 parameters	Δρmin = −0.92 e Å^−3
0 restraints	Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0024 (2)

Special details

Experimental. Absorption correction: CrysAlis PRO (Agilent, 2014) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by Clark & Reid (1995)

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Pt	0.64201 (3)	0.24522 (2)	0.18480 (2)	0.00838 (12)
O2	0.9425 (5)	0.0838 (2)	0.3550 (5)	0.0214 (7)
O1	1.0428 (4)	0.1964 (3)	0.1858 (4)	0.0234 (7)
O3	0.4941 (4)	0.0546 (2)	0.2976 (4)	0.0182 (7)
O4	0.3278 (4)	0.0944 (3)	−0.0112 (4)	0.0217 (7)
N1	0.9066 (5)	0.1640 (3)	0.2494 (5)	0.0111 (8)
N2	0.4699 (5)	0.1141 (3)	0.1524 (5)	0.0135 (8)
N3	0.3735 (5)	0.3303 (3)	0.1142 (5)	0.0128 (8)
H3A	0.3409	0.3580	−0.0116	0.019*
H3B	0.3911	0.3837	0.2048	0.019*
H3C	0.2686	0.2873	0.1178	0.019*
N4	0.8117 (5)	0.3823 (3)	0.2226 (5)	0.0138 (8)
H4A	0.9371	0.3732	0.3225	0.021*
H4B	0.7415	0.4358	0.2562	0.021*
H4C	0.8318	0.3986	0.1058	0.021*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pt	0.00787 (17)	0.00841 (16)	0.00881 (15)	0.00001 (5)	0.00287 (9)	0.00083 (5)
O2	0.0189 (17)	0.018 (2)	0.0267 (18)	0.0068 (13)	0.0069 (13)	0.0098 (14)
O1	0.0141 (16)	0.030 (2)	0.0294 (18)	0.0024 (14)	0.0119 (13)	0.0097 (16)
O3	0.0252 (17)	0.0128 (18)	0.0188 (16)	−0.0033 (13)	0.0105 (13)	0.0029 (14)
O4	0.0184 (17)	0.030 (2)	0.0145 (16)	−0.0099 (13)	0.0028 (13)	−0.0059 (14)
N1	0.0095 (18)	0.011 (2)	0.0132 (18)	−0.0016 (14)	0.0047 (14)	−0.0013 (15)
N2	0.0148 (19)	0.013 (2)	0.015 (2)	−0.0016 (15)	0.0078 (15)	−0.0025 (16)
N3	0.0111 (18)	0.014 (2)	0.0137 (18)	0.0006 (14)	0.0042 (13)	0.0020 (16)
N4	0.0110 (19)	0.016 (2)	0.0150 (19)	−0.0017 (15)	0.0047 (15)	0.0004 (16)

Geometric parameters (Å, º)

Pt—N1	1.995 (3)	O4—N2	1.251 (4)
Pt—N2	2.001 (4)	N3—H3A	0.9100
Pt—N3	2.039 (3)	N3—H3B	0.9100
Pt—N4	2.052 (3)	N3—H3C	0.9100
O2—N1	1.233 (4)	N4—H4A	0.9100
O1—N1	1.242 (4)	N4—H4B	0.9100
O3—N2	1.239 (4)	N4—H4C	0.9100
N1—Pt—N2	93.06 (13)	Pt—N3—H3A	109.5
N1—Pt—N3	178.67 (13)	Pt—N3—H3B	109.5
N2—Pt—N3	87.85 (13)	H3A—N3—H3B	109.5
N1—Pt—N4	88.58 (13)	Pt—N3—H3C	109.5
N2—Pt—N4	177.96 (13)	H3A—N3—H3C	109.5
N3—Pt—N4	90.53 (14)	H3B—N3—H3C	109.5
O2—N1—O1	118.5 (3)	Pt—N4—H4A	109.5
O2—N1—Pt	122.3 (2)	Pt—N4—H4B	109.5
O1—N1—Pt	119.2 (3)	H4A—N4—H4B	109.5
O3—N2—O4	118.9 (3)	Pt—N4—H4C	109.5
O3—N2—Pt	120.4 (3)	H4A—N4—H4C	109.5
O4—N2—Pt	120.5 (3)	H4B—N4—H4C	109.5

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N3—H3A···O3^i	0.91	2.27	3.026 (5)	140
N3—H3A···O1^ii	0.91	2.49	3.107 (5)	126
N3—H3B···O4^iii	0.91	2.22	2.941 (5)	136
N3—H3C···O1^iv	0.91	2.12	3.015 (5)	169
N3—H3B···O3^v	0.91	2.30	2.976 (5)	131
N4—H4A···O4^vi	0.91	2.56	3.392 (4)	153
N4—H4A···O1^iii	0.91	2.57	3.261 (5)	133
N4—H4B···O3^v	0.91	2.14	2.994 (4)	156
N4—H4C···O2^i	0.91	2.18	3.072 (5)	167

Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) x−1, −y+1/2, z−1/2; (iii) x, −y+1/2, z+1/2; (iv) x−1, y, z; (v) −x+1, y+1/2, −z+1/2; (vi) x+1, −y+1/2, z+1/2.