Crystallography Open Database

Information card for entry 7215599

Preview

Coordinates	7215599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H56 Cu3 N16 O44 P W12
Calculated formula	C56 H56 Cu3 N16 O44 P W12
Title of publication	Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility
Authors of publication	Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	902 - 908
a	13.264 ± 0.003 Å
b	13.611 ± 0.003 Å
c	14.666 ± 0.003 Å
α	109.4 ± 0.03°
β	116.56 ± 0.03°
γ	98.51 ± 0.03°
Cell volume	2091.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7200541
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218486 (current)	2019-09-18	cif/7/21/ Marked entries 7215599-7215600 as duplicates of entries 7200541-7200542.	7215599.cif
218485	2019-09-18	cif/7/21/ Updated bibliographic information in entries 7215599-7215600.	7215599.cif
180486	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 7/21/55.	7215599.cif
112528	2014-05-02	cif/ Adding structures of 7215599, 7215600 via cif-deposit CGI script.	7215599.cif