Crystallography Open Database

Information card for entry 4318212

Preview

Coordinates	4318212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H6 Co2 N24 O5
Calculated formula	C21 H6 Co3 N20 O2
Title of publication	Corner Sharing Tetrahedral Network in Co3(HAT)[N(CN)2]6(OH2)2 (HAT = 1,4,5,8,9,12-Hexaazatriphenylene)
Authors of publication	Shireen R. Marshall; Arnold L. Rheingold; Louise N. Dawe; William W. Shum; Chitoshi Kitamura; Joel S. Miller
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3599 - 3601
a	13.655 ± 0.003 Å
b	15.189 ± 0.003 Å
c	22.367 ± 0.004 Å
α	90°
β	114.1 ± 0.002°
γ	90°
Cell volume	4234.7 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.1197
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318212.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318212.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318212.cif
14511	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318212 via cif-deposit CGI script.	4318212.cif