Crystallography Open Database

Information card for entry 4325006

Preview

Coordinates	4325006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H32 B10 N2 O3
Calculated formula	C14 H32 B10 N2 O3
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	33.866 ± 0.014 Å
b	6.684 ± 0.003 Å
c	9.784 ± 0.004 Å
α	90°
β	92.669 ± 0.005°
γ	90°
Cell volume	2212.3 ± 1.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
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.	4325006.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325006.cif
43457	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4325006 via cif-deposit CGI script.	4325006.cif