Crystallography Open Database

Information card for entry 7717526

Preview

Coordinates	7717526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H56 Cu N2 P
Calculated formula	C47 H56 Cu N2 P
Title of publication	Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.
Authors of publication	Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	54
Journal issue	1
Pages of publication	396 - 404
a	23.339 ± 0.003 Å
b	15.8665 ± 0.0019 Å
c	24.171 ± 0.003 Å
α	90°
β	111.832 ± 0.002°
γ	90°
Cell volume	8308.8 ± 1.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
298235 (current)	2025-03-04	cif/ Updating files of 7717519, 7717520, 7717521, 7717522, 7717523, 7717524, 7717525, 7717526, 7717527 Original log message: Adding full bibliography for 7717519--7717527.cif.	7717526.cif
295988	2024-11-19	cif/ Adding structures of 7717519, 7717520, 7717521, 7717522, 7717523, 7717524, 7717525, 7717526, 7717527 via cif-deposit CGI script.	7717526.cif