Crystallography Open Database

Information card for entry 7003596

Preview

Coordinates	7003596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H60 Cu2 F4 N14 O44 Si W12
Calculated formula	C38 H54 Cu2 F4 N14 O44 Si W12
Title of publication	Inorganic‒organic hybrid materials with different dimensions constructed from copper‒fluconazole metal‒organic units and Keggin polyanion clusters
Authors of publication	Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Liu, Jie; Fu, Yao-Mei; Su, Zhong-Min
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	15
Pages of publication	2015 - 2025
a	23.933 ± 0.0007 Å
b	14.035 ± 0.0011 Å
c	22.706 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7626.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7003596.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003596.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003596.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003596.cif