Crystallography Open Database

Information card for entry 7031560

Preview

Coordinates	7031560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 Cr N3 Se
Calculated formula	C18 H33 Cr N3 Se
SMILES	[Se]([Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)#N)c1ccccc1
Title of publication	Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.
Authors of publication	Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	32
Pages of publication	12299 - 12305
a	7.6213 ± 0.0006 Å
b	14.7207 ± 0.0011 Å
c	18.6479 ± 0.0014 Å
α	90°
β	90.931 ± 0.001°
γ	90°
Cell volume	2091.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
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	0.0445
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
180021 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15.	7031560.cif
121721	2014-08-08	cif/ Updating files of 7031556, 7031557, 7031558, 7031559, 7031560 Original log message: Adding full bibliography for 7031556--7031560.cif.	7031560.cif
118933	2014-07-03	cif/ Adding structures of 7031556, 7031557, 7031558, 7031559, 7031560 via cif-deposit CGI script.	7031560.cif