Crystallography Open Database

Information card for entry 4338972

Preview

Coordinates	4338972.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(hydrido(tris-(3,5-dimethylpyrazolyl)borato)samarium(III) para- (3,5-di-t-Butyl)benzohemiquinone
Formula	C51 H72 B2 N12 O2 Sm
Calculated formula	C50 H64 B2 N12 O2 Sm
Title of publication	Trapping of anionic organic radicals by (TpMe2)2Ln (Ln = Sm, Eu).
Authors of publication	Domingos, Angela; Lopes, Irene; Waerenborgh, João C; Marques, Noémia; Lin, G. Y.; Zhang, X. W.; Takats, Josef; McDonald, Robert; Hillier, Anna C.; Sella, Andrea; Elsegood, Mark R. J.; Day, Victor W.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9415 - 9424
a	10.924 ± 0.002 Å
b	15.044 ± 0.003 Å
c	18.785 ± 0.004 Å
α	89.96 ± 0.03°
β	74.29 ± 0.03°
γ	71.14 ± 0.03°
Cell volume	2799.5 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0858
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179492 (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 4/33/89.	4338972.cif
117036	2014-06-14	cif/ Adding structures of 4338970, 4338971, 4338972, 4338973, 4338974, 4338975 via cif-deposit CGI script.	4338972.cif