Crystallography Open Database

Information card for entry 7248579

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Coordinates	7248579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H63 Cd N5 O5
Calculated formula	C50 H63 Cd N5 O5
Title of publication	Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand
Authors of publication	Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	23
Pages of publication	3077 - 3087
a	10.0955 ± 0.0004 Å
b	40.9697 ± 0.0015 Å
c	11.4889 ± 0.0004 Å
α	90°
β	98.139 ± 0.001°
γ	90°
Cell volume	4704.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0339
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292982 (current)	2024-07-05	cif/ Updating files of 7248579, 7248580, 7248581, 7248582, 7248583, 7248584 Original log message: Adding full bibliography for 7248579--7248584.cif.	7248579.cif
291481	2024-05-04	cif/ Adding structures of 7248579, 7248580, 7248581, 7248582, 7248583, 7248584 via cif-deposit CGI script.	7248579.cif