Crystallography Open Database

Information card for entry 4325007

Preview

Coordinates	4325007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H32 B10 Br2 N2 O2
Calculated formula	C14 H32 B10 Br2 N2 O2
Title of publication	m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis
Authors of publication	Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4149 - 4161
a	21.6668 ± 0.0017 Å
b	21.6668 ± 0.0017 Å
c	10.4424 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4902.2 ± 0.7 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179353 (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 4/32/50.	4325007.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325007.cif
43458	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4325007 via cif-deposit CGI script.	4325007.cif