Crystallography Open Database

Information card for entry 1540019

Preview

Coordinates	1540019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Dy2 N2 O19
Calculated formula	C26 H28 Dy2 N2 O19
Title of publication	Constraining and Tuning the Coordination Geometry of a Lanthanide Ion in Metal-Organic Frameworks: Approach toward a Single-Molecule Magnet.
Authors of publication	Liu, Ke; Li, Huanhuan; Zhang, Xuejing; Shi, Wei; Cheng, Peng
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	21
Pages of publication	10224 - 10231
a	18.465 ± 0.005 Å
b	9.2442 ± 0.0014 Å
c	19.699 ± 0.005 Å
α	90°
β	102.18 ± 0.03°
γ	90°
Cell volume	3286.8 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
288247 (current)	2023-12-12	cif/1/54/00/ Updated capitalisation of the Hall space group name in entry 1540019.	1540019.cif
288244	2023-12-12	cif/1/54/00/ Changed data name '_space_grpup_name_hall' to '_space_group_name_Hall' in entries 1540018-1540020.	1540019.cif
170059	2015-11-06	cif/ Updating files of 1540018, 1540019, 1540020 Original log message: Adding full bibliography for 1540018--1540020.cif.	1540019.cif
169153	2015-10-15	cif/ Adding structures of 1540018, 1540019, 1540020 via cif-deposit CGI script.	1540019.cif