Crystallography Open Database

Information card for entry 7117931

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Structure parameters

Formula	C36 H38 Dy N9 O13
Calculated formula	C36 H38 Dy N9 O13
Title of publication	Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition
Authors of publication	Long-Fei Wang; Jiang-Zhen Qiu; Jun-Liang Liu; Yan-Cong Chen; Jian-Hua Jia; Jesus Jover; Eliseo Ruiz; Ming-Liang Tong
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15358
a	11.097 ± 0.0007 Å
b	22.1612 ± 0.0016 Å
c	16.3266 ± 0.0011 Å
α	90°
β	90.525 ± 0.002°
γ	90°
Cell volume	4014.9 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0616
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7117931.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117931.cif
165897	2015-10-12	cif/ Adding structures of 7117931, 7117932, 7117933, 7117934 via cif-deposit CGI script.	7117931.cif