Crystallography Open Database

Information card for entry 4074067

Preview

Coordinates	4074067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 B2 O2.5 P2 Sm
Calculated formula	C44 H46 B2 O2.5 P2 Sm
Title of publication	Boratabenzene Derivatives of Divalent Samarium: Syntheses, Structures and Catalytic Reactivities of (C5H5BXPh2)2Sm(THF)2(X = N, P)
Authors of publication	Cui, Peng; Chen, Yaofeng; Zeng, Xiaohua; Sun, Jie; Li, Guangyu; Xia, Wei
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	26
Pages of publication	6519
a	8.4309 ± 0.0008 Å
b	16.1377 ± 0.0014 Å
c	30.901 ± 0.003 Å
α	90°
β	94.062 ± 0.002°
γ	90°
Cell volume	4193.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	0.852
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4074067.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074067.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074067.cif
46714	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074066, 4074067 via cif-deposit CGI script.	4074067.cif