Crystallography Open Database

Information card for entry 4338970

Preview

Coordinates	4338970.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(hydrido(tris-(3,5-dimethylpyrazolyl)borato)- samarium(III)benzophenone ketyl
Formula	C93 H116 B4 N24 O2 Sm2
Calculated formula	C93 H108 B4 N24 O2 Sm2
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	11.108 ± 0.002 Å
b	13.532 ± 0.0019 Å
c	17.788 ± 0.001 Å
α	73.05 ± 0.011°
β	86.62 ± 0.01°
γ	67.92 ± 0.01°
Cell volume	2366.2 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0501
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	4338970.cif
117036	2014-06-14	cif/ Adding structures of 4338970, 4338971, 4338972, 4338973, 4338974, 4338975 via cif-deposit CGI script.	4338970.cif