Crystallography Open Database

Information card for entry 1571252

Preview

Coordinates	1571252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103.44 H78.88 Cl6.88 Li4 N16 O4 P4
Calculated formula	C103.44 H78.88 Cl6.88 Li4 N16 O4 P4
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	22.4512 ± 0.0008 Å
b	22.4512 ± 0.0008 Å
c	10.3077 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5195.7 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1571252.cif
290503	2024-03-15	cif/ Adding structures of 1571249, 1571250, 1571251, 1571252, 1571253, 1571254 via cif-deposit CGI script.	1571252.cif