Crystallography Open Database

Information card for entry 1570522

Preview

Coordinates	1570522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76.5 H72.5 N Ni O2 P
Calculated formula	C76.5 H72.5 N Ni O2 P
Title of publication	Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes
Authors of publication	Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	4
Pages of publication	292 - 302
a	10.6428 ± 0.0018 Å
b	16.779 ± 0.002 Å
c	18.282 ± 0.003 Å
α	109.298 ± 0.005°
β	101.65 ± 0.006°
γ	92.667 ± 0.006°
Cell volume	2995.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
289647 (current)	2024-02-04	cif/ Updating files of 1570522, 1570523, 1570524 Original log message: Adding full bibliography for 1570522--1570524.cif.	1570522.cif
288109	2023-12-07	cif/ Adding structures of 1570522, 1570523, 1570524 via cif-deposit CGI script.	1570522.cif