Crystallography Open Database

Information card for entry 4337835

Preview

Coordinates	4337835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 Mo3 N3 O9
Calculated formula	C8 H7 Mo3 N3 O9
Title of publication	Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material [Mo3O9(2-[3(5)-Pyrazolyl]pyridine)]n.
Authors of publication	Amarante, Tatiana R.; Neves, Patrícia; Gomes, Ana C.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo; Coelho, Ana C.; Valente, Anabela A.; Paz, Filipe A Almeida; Smeets, Stef; McCusker, Lynne B.; Pillinger, Martyn; Gonçalves, Isabel S
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2652 - 2665
a	30.2491 ± 0.0005 Å
b	3.72717 ± 0.00005 Å
c	12.8518 ± 0.0003 Å
α	90°
β	110.196 ± 0.0016°
γ	90°
Cell volume	1359.88 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	7.9
Goodness-of-fit parameter for all reflections	4.05
Method of determination	powder diffraction
Diffraction radiation wavelength	0.826611 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179481 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/78.	4337835.cif
107749	2014-03-22	cif/ Adding structures of 4337835 via cif-deposit CGI script.	4337835.cif