Crystallography Open Database

Information card for entry 4085495

Preview

Coordinates	4085495.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 5
Formula	C33 H46 Cr N2
Calculated formula	C33 H46 Cr N2
Title of publication	Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond
Authors of publication	Noor, Awal; Schwarz, Stefan; Kempe, Rhett
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2122
a	14.618 ± 0.0011 Å
b	13.33 ± 0.0011 Å
c	16.947 ± 0.0013 Å
α	90°
β	113.198 ± 0.006°
γ	90°
Cell volume	3035.3 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1471
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.208
Weighted residual factors for all reflections included in the refinement	0.2321
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178743 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/54.	4085495.cif
140227	2015-07-05	cif/ Updating files of 4085493, 4085494, 4085495, 4085496, 4085497, 4085498 Original log message: Adding full bibliography for 4085493--4085498.cif.	4085495.cif
131673	2015-02-11	cif/ Adding structures of 4085493, 4085494, 4085495, 4085496, 4085497, 4085498 via cif-deposit CGI script.	4085495.cif