Crystallography Open Database

Information card for entry 4074642

Preview

Coordinates	4074642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 B Cr N O3
Calculated formula	C13 H10 B Cr N O3
SMILES	N1B(C=CC=C1)[c]12[Cr]3456([cH]1[cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O]
Title of publication	Switchable Haptotropic Migrations of Tricarbonylchromium Complexes of 1,2-Dihydro-2-phenyl-1,2-azaborine
Authors of publication	Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	1
Pages of publication	197
a	9.9188 ± 0.0015 Å
b	17.33 ± 0.003 Å
c	7.2858 ± 0.0011 Å
α	90°
β	90.348 ± 0.003°
γ	90°
Cell volume	1252.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0555
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
178635 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/46.	4074642.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074642.cif
48623	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074642 via cif-deposit CGI script.	4074642.cif