Crystallography Open Database

Information card for entry 7249878

Preview

Coordinates	7249878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H79 Cd2 N5 O17
Calculated formula	C83 H79 Cd2 N5 O17
Title of publication	Photochromic pyridylfulgenates and their cadmium complexes
Authors of publication	Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	11
Pages of publication	1548 - 1559
a	16.4124 ± 0.0011 Å
b	17.2304 ± 0.0015 Å
c	28.2016 ± 0.0019 Å
α	90°
β	92.706 ± 0.006°
γ	90°
Cell volume	7966.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1124
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
298863 (current)	2025-04-05	cif/ Updating files of 7249873, 7249874, 7249875, 7249876, 7249877, 7249878 Original log message: Adding full bibliography for 7249873--7249878.cif.	7249878.cif
297551	2025-02-01	cif/ Adding structures of 7249873, 7249874, 7249875, 7249876, 7249877, 7249878 via cif-deposit CGI script.	7249878.cif