Crystallography Open Database

Information card for entry 2006636

2006635 << 2006636 >> 2006637

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Coordinates	2006636.cif
Original IUCr paper	HTML

Structure parameters

Common name	Tetraamine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate
Chemical name	tetraamine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate
Formula	C2 H12 Cl Co N14 O8
Calculated formula	C2 H12 Cl Co N14 O8
SMILES	c1(nnn([Co]([NH3])([NH3])([NH3])([NH3])n2nnc(N(=O)=O)n2)n1)N(=O)=O.Cl(=O)(=O)(=O)[O-]
Title of publication	The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K
Authors of publication	Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	11
Pages of publication	1609 - 1611
a	10.031 ± 0.002 Å
b	10.547 ± 0.002 Å
c	14.861 ± 0.003 Å
α	90°
β	109.09 ± 0.03°
γ	90°
Cell volume	1485.8 ± 0.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.05
Weighted residual factors for all reflections	0.138
Weighted residual factors for significantly intense reflections	0.1333
Goodness-of-fit parameter for all reflections	1.08
Goodness-of-fit parameter for significantly intense reflections	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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