Crystallography Open Database

Information card for entry 7229072

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Structure parameters

Formula	C42 H68 N5 Nd Si2
Calculated formula	C42 H68 N5 Nd Si2
SMILES	[C@H]12CCCC[C@@H]1[N]1=C(C)C=C(C)N(c3c(cccc3CC)CC)[Nd]31([N]2=C(C)C=C(C)N3c1c(cccc1CC)CC)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands
Authors of publication	Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	68
Pages of publication	42792
a	12.4507 ± 0.0011 Å
b	16.3478 ± 0.0015 Å
c	22.55 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4589.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7229072.cif
200200	2017-09-06	cif/ Adding structures of 7229070, 7229071, 7229072, 7229073 via cif-deposit CGI script.	7229072.cif