Crystallography Open Database

Information card for entry 7133256

Preview

Coordinates	7133256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 N2 O6 Zn
Calculated formula	C48 H36 N2 O6 Zn
Title of publication	Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.
Authors of publication	Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	61
Pages of publication	7890 - 7893
a	7.9091 ± 0.0002 Å
b	23.3932 ± 0.0006 Å
c	20.4994 ± 0.0005 Å
α	90°
β	90.281 ± 0.002°
γ	90°
Cell volume	3792.74 ± 0.16 Å³
Cell temperature	115 ± 0.2 K
Ambient diffraction temperature	115.15 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	0.0914
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.0619
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
293720 (current)	2024-08-05	cif/ Updating files of 7133256, 7133257, 7133258, 7133259, 7133260 Original log message: Adding full bibliography for 7133256--7133260.cif.	7133256.cif
292663	2024-07-02	cif/ Adding structures of 7133256, 7133257, 7133258, 7133259, 7133260 via cif-deposit CGI script.	7133256.cif