Crystallography Open Database

Information card for entry 1571204

Preview

Coordinates	1571204.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound_31
Chemical name	Compound_31
Formula	C35.2 H31.2 N4.8 O2 P1.6
Calculated formula	C35.2 H31.2 N4.8 O2 P1.6
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	12.0258 ± 0.0001 Å
b	17.4694 ± 0.0001 Å
c	19.0196 ± 0.0001 Å
α	90°
β	102.948 ± 0.001°
γ	90°
Cell volume	3894.11 ± 0.05 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1571204.cif
290414	2024-03-09	cif/ Adding structures of 1571196, 1571197, 1571198, 1571199, 1571200, 1571201, 1571202, 1571203, 1571204 via cif-deposit CGI script.	1571204.cif