Crystallography Open Database

Information card for entry 4084709

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Structure parameters

Formula	C29 H57 N S2 Si5
Calculated formula	C29 H57 N S2 Si5
SMILES	S1[Si]2(S/C1=N\c1c(cccc1C(C)C)C(C)C)C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C
Title of publication	Reactions of an Isolable Dialkylsilylene with Carbon Dioxide and Related Heterocumulenes
Authors of publication	Liu, Xupeng; Xiao, Xu-Qiong; Xu, Zheng; Yang, Xuemin; Li, Zhifang; Dong, Zhaowen; Yan, Chenting; Lai, Guoqiao; Kira, Mitsuo
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5434
a	11.323 ± 0.002 Å
b	11.883 ± 0.002 Å
c	15.335 ± 0.003 Å
α	77.249 ± 0.003°
β	68.794 ± 0.003°
γ	74.553 ± 0.003°
Cell volume	1836.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4084709.cif
178736	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/47.	4084709.cif
126794	2014-11-11	cif/ Adding structures of 4084708, 4084709, 4084710 via cif-deposit CGI script.	4084709.cif