Crystallography Open Database

Information card for entry 4331730

Preview

Coordinates	4331730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H37 Cr0.5 O2 Si
Calculated formula	C25 H37 Cr0.5 O2 Si
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	24.474 ± 0.003 Å
b	9.4762 ± 0.0013 Å
c	11.7561 ± 0.0013 Å
α	90°
β	113.785 ± 0.013°
γ	90°
Cell volume	2494.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.244
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331730.cif
97839	2014-01-29	cif/ Adding structures of 4331730 via cif-deposit CGI script.	4331730.cif