Crystallography Open Database

Information card for entry 1546767

Preview

Coordinates	1546767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H52.5 Cl1.5 Co N2 O2
Calculated formula	C36.5 H52.5 Cl1.5 Co N2 O2
SMILES	[Co]123Oc4c(cc(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.ClC(Cl)Cl
Title of publication	Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes
Authors of publication	Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng
Journal of publication	Polym. Chem.
Year of publication	2017
a	10.1542 ± 0.001 Å
b	26.46 ± 0.003 Å
c	26.744 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7185.6 ± 1.3 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0808
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1546767.cif
199634	2017-08-08	cif/ Adding structures of 1546767, 1546768, 1546769, 1546770 via cif-deposit CGI script.	1546767.cif