Crystallography Open Database

Information card for entry 1557915

Preview

Coordinates	1557915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H84 N8 Ni2 O10
Calculated formula	C55 H84 N8 Ni2 O10
SMILES	[Ni]1234([O]5[Ni]67([O]1c1c(n8[n]7c7ccccc7n8)cc(cc1C[NH]4CC(C[NH]2Cc1c5c(n2[n]6c4ccccc4n2)cc(c1)C(C)(C)CC(C)(C)C)(C)C)C(C)(C)CC(C)(C)C)([O]=C(O3)C)[OH]C)OC(=O)C.OC.OC.OC
Title of publication	Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides
Authors of publication	Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	18
Pages of publication	3225 - 3236
a	13.3819 ± 0.0004 Å
b	22.5315 ± 0.0007 Å
c	19.0121 ± 0.0008 Å
α	90°
β	95.058 ± 0.003°
γ	90°
Cell volume	5710.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1296
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
257950 (current)	2020-10-06	cif/ Updating files of 1557911, 1557912, 1557913, 1557914, 1557915 Original log message: Adding full bibliography for 1557911--1557915.cif.	1557915.cif
254005	2020-07-06	cif/ Updating files of 1557911, 1557912, 1557913, 1557914, 1557915 Original log message: Adding full bibliography for 1557911--1557915.cif.	1557915.cif
251171	2020-04-25	cif/ Adding structures of 1557911, 1557912, 1557913, 1557914, 1557915 via cif-deposit CGI script.	1557915.cif