Crystallography Open Database

Information card for entry 2012801

2012800 << 2012801 >> 2012802

Preview

Structure parameters

Chemical name	μ-Cyano-1:2κ^2^C:N-tetracyano-1κ^4^C-(5-methyl-5-nitro-3,7-diazanonane- 1,9-diamine-2κ^4^N)-nitrosyl-1κN-copper(II)iron(II) dihydrate
Formula	C13 H25 Cu Fe N11 O5
Calculated formula	C13 H25 Cu Fe N11 O5
Title of publication	μ-Cyano-1:2κ^2^<i>C</i>:<i>N</i>-tetracyano-1κ^4^<i>C</i>-(5-methyl-5-nitro-3,7-diazanonane-1,9-diamine-2κ^4^<i>N</i>^1,3,7,9^)-nitrosyl-1κ<i>N</i>-copper(II)iron(II) dihydrate
Authors of publication	Shen, Liang; Zhang, Yi-Jian; Sheng, Guo-Ding; Wang, Hua-Tong
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	7
Pages of publication	m382 - m384
a	8.47 ± 0.002 Å
b	9.702 ± 0.002 Å
c	14.648 ± 0.003 Å
α	85.55 ± 0.01°
β	80.11 ± 0.02°
γ	68.2 ± 0.01°
Cell volume	1100.9 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.