Crystallography Open Database

Information card for entry 4073577

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Structure parameters

Formula	C16 H22 Cr Si2
Calculated formula	C16 H22 Cr Si2
SMILES	[c]123[cH]4[cH]5[cH]6[cH]7[Cr]89%10%11%121456([cH]1[cH]8[cH]%12[cH]%11[c]9([cH]%101)[Si](C)(C)[Si]3(C)C)[cH]27
Title of publication	Transition-Metal-Catalyzed Bis-Silylation of Propyne by [2]Chromoarenophanes
Authors of publication	Braunschweig, Holger; Kupfer, Thomas
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4634
a	13.2196 ± 0.0004 Å
b	11.844 ± 0.0004 Å
c	9.7441 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1525.66 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4073577.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4073577.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073577.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073577.cif
46427	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073577, 4073578, 4073579 via cif-deposit CGI script.	4073577.cif