Crystallography Open Database

Information card for entry 7212846

Preview

Coordinates	7212846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H43 Cu2 Mo N15 O4
Calculated formula	C20 H43 Cu2 Mo N15 O4
Title of publication	A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties
Authors of publication	Zhang, Wen; Sun, Hao-Ling; Sato, Osamu
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4045
a	10.206 ± 0.002 Å
b	14.185 ± 0.003 Å
c	10.777 ± 0.002 Å
α	90°
β	93.69 ± 0.03°
γ	90°
Cell volume	1557 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1
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
180459 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/28.	7212846.cif
93297	2014-01-12	cif/ Adding structures of 7212845, 7212846 via cif-deposit CGI script.	7212846.cif