Crystallography Open Database

Information card for entry 4331732

Preview

Coordinates	4331732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H86 Cr N4 O2 Si2
Calculated formula	C55 H86 Cr N4 O2 Si2
SMILES	[Cr](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=NN=C(c1ccccc1)c1ccccc1)=NN=C(c1ccccc1)c1ccccc1.CCCCC
Title of publication	The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)
Authors of publication	Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	2008 - 2021
a	12.705 ± 0.0017 Å
b	18.89 ± 0.003 Å
c	13.1447 ± 0.0018 Å
α	90°
β	116.852 ± 0.003°
γ	90°
Cell volume	2814.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331732.cif
97841	2014-01-29	cif/ Adding structures of 4331732 via cif-deposit CGI script.	4331732.cif