Crystallography Open Database

Information card for entry 4329319

Preview

Coordinates	4329319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Br Mn2 N11 O6
Calculated formula	C20 H16 Br Mn2 N11 O6
Title of publication	Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes
Authors of publication	Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6070 - 6080
a	16.232 ± 0.007 Å
b	9.622 ± 0.004 Å
c	27.2 ± 0.009 Å
α	90°
β	97.354 ± 0.007°
γ	90°
Cell volume	4213 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1656
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
179396 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/93.	4329319.cif
78367	2013-04-02	cif/ Adding structures of 4329319 via cif-deposit CGI script.	4329319.cif