Crystallography Open Database

Information card for entry 7210736

Preview

Coordinates	7210736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H58 Cl2 Cu4 N13 O68 P2 W18
Calculated formula	C74 H58 Cl2 Cu4 N13 O68 P2 W18
Title of publication	Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex
Authors of publication	Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	25
Pages of publication	5156
a	17.4716 ± 0.0006 Å
b	19.9622 ± 0.0007 Å
c	32.5448 ± 0.0012 Å
α	90°
β	97.927 ± 0.001°
γ	90°
Cell volume	11242.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0579
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
180438 (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 7/21/07.	7210736.cif
90115	2013-11-17	cif/ Adding structures of 7210732, 7210733, 7210734, 7210735, 7210736, 7210737 via cif-deposit CGI script.	7210736.cif