Crystallography Open Database

Information card for entry 7219865

7219864 << 7219865 >> 7219866

Preview

Coordinates	7219865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H47 Cu7 Mo12 N40 O48 P
Calculated formula	C48 H32 Cu7 Mo12 N40 O48 P
Title of publication	Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains
Authors of publication	Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	17
Pages of publication	3257
a	11.5446 ± 0.0012 Å
b	14.7733 ± 0.0016 Å
c	15.4797 ± 0.0016 Å
α	66.933 ± 0.002°
β	69.503 ± 0.002°
γ	89.899 ± 0.002°
Cell volume	2247 ± 0.4 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	0.0949
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
180529 (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 7/21/98.	7219865.cif
138566	2015-06-07	cif/ Updating files of 7219865, 7219866, 7219867, 7219868 Original log message: Adding full bibliography for 7219865--7219868.cif.	7219865.cif
133903	2015-03-14	cif/ Adding structures of 7219865, 7219866, 7219867, 7219868 via cif-deposit CGI script.	7219865.cif