Crystallography Open Database

Information card for entry 1571250

Preview

Coordinates	1571250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 N4 P
Calculated formula	C25 H17 N4 P
Title of publication	Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Authors of publication	Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	15
Pages of publication	5496 - 5506
a	6.0233 ± 0.0002 Å
b	7.6255 ± 0.0002 Å
c	21.2045 ± 0.0006 Å
α	90°
β	93.2936 ± 0.0009°
γ	90°
Cell volume	972.33 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0593
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.299
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
291581 (current)	2024-05-05	cif/ Updating files of 1571249, 1571250, 1571251, 1571252, 1571253, 1571254 Original log message: Adding full bibliography for 1571249--1571254.cif.	1571250.cif
290503	2024-03-15	cif/ Adding structures of 1571249, 1571250, 1571251, 1571252, 1571253, 1571254 via cif-deposit CGI script.	1571250.cif