Crystallography Open Database

Information card for entry 4088538

Preview

Coordinates	4088538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H51 N6 O Si2 Y
Calculated formula	C28 H51 N6 O Si2 Y
SMILES	[Y]12([O]3CCCC3)(n3n(=C(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(C)cc3C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals
Authors of publication	Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1565
a	11.8719 ± 0.0019 Å
b	14.452 ± 0.002 Å
c	21.102 ± 0.003 Å
α	90°
β	106.097 ± 0.003°
γ	90°
Cell volume	3478.6 ± 0.9 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
237654 (current)	2019-11-24	cif/ Adding structures of 4088535, 4088536, 4088537, 4088538, 4088539, 4088540 via cif-deposit CGI script.	4088538.cif