Crystallography Open Database

Information card for entry 7246769

Preview

Coordinates	7246769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Cu4 N16 O28
Calculated formula	C54 H48 Cu4 N16 O28
Title of publication	Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions
Authors of publication	Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	25
Pages of publication	3628 - 3636
a	10.1143 ± 0.001 Å
b	11.1349 ± 0.0011 Å
c	14.8056 ± 0.0016 Å
α	107.017 ± 0.004°
β	109.383 ± 0.004°
γ	93.002 ± 0.003°
Cell volume	1483.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
284919 (current)	2023-07-05	cif/ Updating files of 7246767, 7246768, 7246769, 7246770, 7246771, 7246772 Original log message: Adding full bibliography for 7246767--7246772.cif.	7246769.cif
283699	2023-05-12	cif/ Adding structures of 7246767, 7246768, 7246769, 7246770, 7246771, 7246772 via cif-deposit CGI script.	7246769.cif