Crystallography Open Database

Information card for entry 4330515

Preview

Coordinates	4330515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H132 B15 Cl3 Mo13
Calculated formula	C80 H132 B15 Cl3 Mo13
Title of publication	Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals
Authors of publication	Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10375 - 10383
a	14.9 ± 0.003 Å
b	21.774 ± 0.004 Å
c	16.047 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5206.2 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0583
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.189
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4330515.cif
79786	2013-04-05	cif/ Adding structures of 4330515 via cif-deposit CGI script.	4330515.cif