Crystallography Open Database

Information card for entry 1571202

Preview

Coordinates	1571202.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mds322
Formula	C49 H40 Br4 N9 Ni2 O P2
Calculated formula	C49 H40 Br4 N9 Ni2 O P2
Title of publication	Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Authors of publication	Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	16
Pages of publication	5980 - 5992
a	12.0937 ± 0.0003 Å
b	27.134 ± 0.0006 Å
c	15.1168 ± 0.0003 Å
α	90°
β	104.658 ± 0.002°
γ	90°
Cell volume	4799.14 ± 0.19 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
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	0.0663
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
291567 (current)	2024-05-05	cif/ Updating files of 1571196, 1571197, 1571198, 1571199, 1571200, 1571201, 1571202, 1571203, 1571204 Original log message: Adding full bibliography for 1571196--1571204.cif.	1571202.cif
290414	2024-03-09	cif/ Adding structures of 1571196, 1571197, 1571198, 1571199, 1571200, 1571201, 1571202, 1571203, 1571204 via cif-deposit CGI script.	1571202.cif