Crystallography Open Database

Information card for entry 1563725

Preview

Coordinates	1563725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Co N2 O6 P2
Calculated formula	C6 H18 Co N2 O6 P2
SMILES	[NH3+][C@H]1CC[C@H]([NH3+])CC1.[NH3+][C@H]1CC[C@H]([NH3+])CC1.[Co]1OP(=O)O[Co](OP(=O)O1)(OP(=O)[O-])OP(=O)[O-]
Title of publication	Synthesis and structural characterization of two cobalt phosphites: 1-D (H3NC6H4NH3)Co(HPO3)2 and 2-D (NH4)2Co2(HPo3)3
Authors of publication	Cheng, Chi-Chang; Chang, Wei-Kuo; Chiang, Ray-Kuang; Wang, Sue-Lein
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	2
Pages of publication	304 - 309
a	17.0811 ± 0.0013 Å
b	8.5611 ± 0.0006 Å
c	8.7654 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1281.79 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266731 (current)	2021-06-28	cif/ Adding structures of 1563725, 1563726 via cif-deposit CGI script.	1563725.cif