Crystallography Open Database

Information card for entry 1546768

Preview

Coordinates	1546768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 Co N3 O4
Calculated formula	C42 H56 Co N3 O4
SMILES	[Co]123(Oc4c(C=[N]3[C@H]3[C@H]([N]2=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)CCCC3)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)NCc1occc1.[Co]123(Oc4c(C=[N]3[C@@H]3[C@@H]([N]2=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)CCCC3)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)NCc1occc1
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	10.733 ± 0.002 Å
b	12.501 ± 0.003 Å
c	17.319 ± 0.004 Å
α	92.4 ± 0.03°
β	104.5 ± 0.03°
γ	106.39 ± 0.03°
Cell volume	2142.4 ± 1 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2026
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
199634 (current)	2017-08-08	cif/ Adding structures of 1546767, 1546768, 1546769, 1546770 via cif-deposit CGI script.	1546768.cif