Crystallography Open Database

Information card for entry 4081070

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Structure parameters

Formula	C26 H53 N4 Nd Si4
Calculated formula	C26 H53 N4 Nd Si4
SMILES	c1(ccc(C)n1CCN(c1ccccc1)[Nd](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C
Title of publication	Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity
Authors of publication	Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	14
Pages of publication	3920
a	20.5269 ± 0.0014 Å
b	15.6748 ± 0.0011 Å
c	21.8103 ± 0.0015 Å
α	90°
β	92.922 ± 0.001°
γ	90°
Cell volume	7008.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4081070.cif
178699	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 4/08/10.	4081070.cif
87986	2013-08-27	cif/ Adding structures of 4081069, 4081070, 4081071, 4081072, 4081073, 4081074, 4081075 via cif-deposit CGI script.	4081070.cif