Crystallography Open Database

Information card for entry 7218064

Preview

Coordinates	7218064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H96 Cu4 Mo16 N24 O60
Calculated formula	C96 H80 Cu4 Mo16 N24 O60
Title of publication	Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands
Authors of publication	Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	43
Pages of publication	10017
a	14.8527 ± 0.0006 Å
b	15.7723 ± 0.0005 Å
c	17.4004 ± 0.0006 Å
α	72.343 ± 0.003°
β	66.337 ± 0.004°
γ	63.668 ± 0.003°
Cell volume	3306.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1508
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180511 (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 7/21/80.	7218064.cif
126368	2014-11-06	cif/ Updating files of 7218060, 7218061, 7218062, 7218063, 7218064, 7218065, 7218066 Original log message: Adding full bibliography for 7218060--7218066.cif.	7218064.cif
123655	2014-09-10	cif/ Adding structures of 7218060, 7218061, 7218062, 7218063, 7218064, 7218065, 7218066 via cif-deposit CGI script.	7218064.cif