Crystallography Open Database

Information card for entry 7054981

Preview

Coordinates	7054981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H78 Cl Mo6 N3 O18
Calculated formula	C35 H78 Cl Mo6 N3 O18
Title of publication	Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates
Authors of publication	Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	2
Pages of publication	906
a	16.709 ± 0.003 Å
b	20.059 ± 0.004 Å
c	31.916 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10697 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177884 (current)	2016-03-05	cif/ Updating files of 7054981, 7054982, 7054983 Original log message: Adding full bibliography for 7054981--7054983.cif.	7054981.cif
140566	2015-07-07	cif/ Adding structures of 7054981, 7054982, 7054983 via cif-deposit CGI script.	7054981.cif