Crystallography Open Database

Information card for entry 7032974

Preview

Coordinates	7032974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H70 Cu6 N12 O88 P2 W22
Calculated formula	C34 H50 Cu6 N12 O78 P2 W22
Title of publication	Three multi-nuclear clusters and one infinite chain induced by a pendant 4-butyl-1H-pyrazole ligand for modification of Keggin anions.
Authors of publication	Tian, Ai-xiang; Ning, Ya-li; Ying, Jun; Hou, Xue; Li, Tian-jiao; Wang, Xiu-li
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	386 - 394
a	25.202 ± 0.005 Å
b	13.227 ± 0.005 Å
c	21.533 ± 0.005 Å
α	90 ± 0.005°
β	123.633 ± 0.005°
γ	90 ± 0.005°
Cell volume	5976 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	0.836
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
180035 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29.	7032974.cif
131078	2015-02-04	cif/ Updating files of 7032974, 7032975, 7032976, 7032977 Original log message: Adding full bibliography for 7032974--7032977.cif.	7032974.cif
126193	2014-11-04	cif/ Adding structures of 7032974, 7032975, 7032976, 7032977 via cif-deposit CGI script.	7032974.cif