Crystallography Open Database

Information card for entry 4300962

Preview

Coordinates	4300962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H87 Cr Na O3 Si3
Calculated formula	C42 H87 Cr Na O3 Si3
SMILES	c1ccccc1.C(C)(C)(C)[Si](C(C)(C)C)([O]1[Cr](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[O]([Na]1)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-Cl)(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr
Authors of publication	Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu; Cundari, Thomas R.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2606 - 2618
a	13.109 ± 0.0008 Å
b	17.0223 ± 0.0013 Å
c	22.169 ± 0.0015 Å
α	90°
β	94.57 ± 0.004°
γ	90°
Cell volume	4931.2 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0779
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.