Crystallography Open Database

Information card for entry 1518309

Preview

Coordinates	1518309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H26 Co3 N2 O14 P2
Calculated formula	C12 H26 Co3 N2 O14 P2
Title of publication	Bio-inspired organic cobalt(ii) phosphonates toward water oxidation
Authors of publication	Zhou, Tianhua; Wang, Danping; Chun-Kiat Goh, Simon; Hong, Jindui; Han, Jianyu; Mao, Jianggao; Xu, Rong
Journal of publication	Energy Environ. Sci.
Year of publication	2015
Journal volume	8
Journal issue	2
Pages of publication	526
a	23.446 ± 0.01 Å
b	9.956 ± 0.004 Å
c	19.018 ± 0.008 Å
α	90°
β	98.983 ± 0.005°
γ	90°
Cell volume	4385 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518309.cif
133447	2015-03-06	cif/ Updating files of 1518309 Original log message: Adding full bibliography for 1518309.cif.	1518309.cif
127901	2014-11-26	cif/ Adding structures of 1518309 via cif-deposit CGI script.	1518309.cif