Crystallography Open Database

Information card for entry 7022068

7022067 << 7022068 >> 7022069

Preview

Coordinates	7022068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H31 Cr Mo6 N3 O29
Calculated formula	C3 H31 Cr Mo6 N3 O29
Title of publication	Transition metal-induced self-assembly of small molybdenum clusters.
Authors of publication	Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1760 - 1769
a	21.8438 ± 0.001 Å
b	11.7484 ± 0.0006 Å
c	22.3792 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5743.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022068.cif
89960	2013-11-17	cif/ Adding structures of 7022067, 7022068, 7022069, 7022070, 7022071, 7022072, 7022073, 7022074 via cif-deposit CGI script.	7022068.cif