Crystallography Open Database

Information card for entry 4070984

Preview

Coordinates	4070984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 Cr N O7
Calculated formula	C28 H23 Cr N O7
SMILES	[Cr](=C(c1c(c(ccc1)C(=O)O[C@@H](C)c1cccc2ccccc12)C)N(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Enantiomerically Pure Axially Chiral Aminocarbene Complexes of Chromium
Authors of publication	Meca, Luděk; Císařová, Ivana; Drahoňovský, Dušan; Dvořák, Dalimil
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1850
a	12.693 ± 0.0002 Å
b	13.031 ± 0.0002 Å
c	15.808 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2614.68 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178598 (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 4/07/09.	4070984.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070984.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070984.cif
42952	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070983, 4070984 via cif-deposit CGI script.	4070984.cif