Crystallography Open Database

Information card for entry 1572808

Preview

Coordinates	1572808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 N4 O12 Zn2
Calculated formula	C44 H42 N4 O12 Zn2
Title of publication	Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers
Authors of publication	Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der
Journal of publication	Chemistry
Year of publication	2024
Journal volume	6
Journal issue	5
Pages of publication	1020 - 1038
a	18.5332 ± 0.0003 Å
b	15.1797 ± 0.0003 Å
c	15.6862 ± 0.0003 Å
α	90°
β	107.029 ± 0.001°
γ	90°
Cell volume	4219.5 ± 0.14 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 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	0.1029
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
295354 (current)	2024-10-06	cif/ Adding structures of 1572804, 1572805, 1572806, 1572807, 1572808, 1572809 via cif-deposit CGI script.	1572808.cif