Crystallography Open Database

Information card for entry 2008080

2008079 << 2008080 >> 2008081

Preview

Coordinates	2008080.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate
Formula	C12 H18 Co N6 O S2
Calculated formula	C12 H18 Co N6 O S2
SMILES	[Co](n1[nH]c(cc1C)C)(n1[nH]c(cc1C)C)(N=C=S)N=C=S.O
Title of publication	Bis(3,5-dimethylpyrazole-<i>N</i>^2^)bis(thiocyanato-<i>N</i>)cobalt(II) monohydrate
Authors of publication	Xiao-Feng Chen; Shu-Hua Liu; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	1
Pages of publication	22 - 24
a	8.0204 ± 0.0003 Å
b	27.1881 ± 0.0011 Å
c	8.942 ± 0.0004 Å
α	90°
β	106.332 ± 0.001°
γ	90°
Cell volume	1871.21 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections	0.135
Weighted residual factors for significantly intense reflections	0.132
Goodness-of-fit parameter for all reflections	1.264
Goodness-of-fit parameter for significantly intense reflections	1.304
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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