Crystallography Open Database

Information card for entry 4310846

Preview

Coordinates	4310846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H50 B N3
Calculated formula	C31 H50 B N3
SMILES	N(c1c(cccc1C(C)C)C(C)C)[B]1([N](=C(N1C(C)(C)C)CCCC)C(C)(C)C)c1ccccc1
Title of publication	Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups
Authors of publication	T. Chivers; C. Fedorchuk; M. Parvez
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2643 - 2653
a	10.634 ± 0.007 Å
b	9.724 ± 0.007 Å
c	14.733 ± 0.013 Å
α	90°
β	99.06 ± 0.03°
γ	90°
Cell volume	1504 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
179147 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/08.	4310846.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310846.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310846.cif
2338	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310846 via cif-deposit CGI script.	4310846.cif