Crystallography Open Database

Information card for entry 1576712

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Coordinates	1576712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H102 Br4 Cl6 N4 Ni2
Calculated formula	C103 H102 Br4 Cl6 N4 Ni2
Title of publication	α-Diimine Catalyzed Propylene-Diene Copolymerization: Towards a Potential Sulfur-Crosslinked Elastomeric Alternative to EPDM
Authors of publication	Liu, Fengbin; Gao, Qi; Zhao, Wenpeng; Wang, Xiaohua; Zhang, Xuequan; Liu, Heng
Journal of publication	Polymer Chemistry
Year of publication	2026
a	16.558 ± 0.0014 Å
b	22.4207 ± 0.0017 Å
c	13.3943 ± 0.0012 Å
α	90°
β	94.097 ± 0.003°
γ	90°
Cell volume	4959.8 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.1
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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