Crystallography Open Database

Information card for entry 7230575

Preview

Coordinates	7230575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Br Mo N5 O4
Calculated formula	C20 H24 Br Mo N5 O4
Title of publication	Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation
Authors of publication	Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	29
Pages of publication	16294
a	7.542 ± 0.0012 Å
b	8.9322 ± 0.0012 Å
c	17.705 ± 0.003 Å
α	87.812 ± 0.007°
β	88.701 ± 0.008°
γ	87.216 ± 0.007°
Cell volume	1190.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
207600 (current)	2018-05-01	cif/ Adding structures of 7230575, 7230576, 7230577 via cif-deposit CGI script.	7230575.cif