Crystallography Open Database

Information card for entry 7111039

Preview

Coordinates	7111039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H79 Mo6 N3 O18
Calculated formula	C40 H79 Mo6 N3 O18
SMILES	[Mo]1234(=Nc5ccc(cc5)C=C)[O]5678[Mo]9%10(=O)(O1)O[Mo]1%117(=O)O[Mo]5(=O)(O2)(O[Mo]6(=O)(O3)(O9)O1)O[Mo]8(=O)(O4)(O%10)O%11.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Organoimido-polyoxometalates as polymer pendants
Authors of publication	Moore, Aaron R.; Kwen, Haidoo; Beatty, Alicia M.; Maatta, Eric A.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	18
Pages of publication	1793
a	17.316 ± 0.002 Å
b	15.6017 ± 0.0017 Å
c	20.774 ± 0.002 Å
α	90°
β	105.098 ± 0.009°
γ	90°
Cell volume	5418.6 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1806
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180224 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/10.	7111039.cif
96176	2014-01-28	cif/ Adding structures of 7111039 via cif-deposit CGI script.	7111039.cif