Crystallography Open Database

Information card for entry 7056357

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Structure parameters

Formula	C24 H51 Er N4 O Si4
Calculated formula	C24 H51 Er N4 O Si4
SMILES	c1cccc2[n]1[Er]1([N](CC2)=C(C)C=C(O1)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene
Authors of publication	Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	15
Pages of publication	7723 - 7728
a	9.5144 ± 0.0008 Å
b	19.1019 ± 0.0016 Å
c	19.2125 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3491.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
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	0.0302
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7056357.cif
301442	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056357.cif
198108	2017-06-23	cif/ Adding structures of 7056352, 7056353, 7056354, 7056355, 7056356, 7056357, 7056358 via cif-deposit CGI script.	7056357.cif