Crystallography Open Database

Information card for entry 8105228

Preview

Coordinates	8105228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2 O7 Pb
Calculated formula	C26 H20 N2 O7 Pb
SMILES	[Pb]12([O]=C(O1)c1ccc(O)cc1)(OC(=O)c1ccc(O)cc1)[n]1cccc3ccc4ccc[n]2c4c13.O
Title of publication	Crystal structure of bis[(μ2-4⋯O,O′:O′)-(4-hydroxybenzoato-κ2 O,O′)-(1,10-phenanthroline-κ2 N,N′)]-di-lead(II)μ-4-hydroxybenzoato-κ3 O,O′:O′;κ3 O,O′:O′-bis-[(4-hydroxybenzoato-κ2 O,O′)bis(1,10-phenanthroline-κ2 N,N′)di-lead(II)] monohydrate, C52H36N4O12Pb2 ⋅ H2O
Authors of publication	Dai, Ben-Cai; Liu, Chang-Chun; Zhou, Yang; Chen, Jin; Fu, Yang; Zhao, Pei-Zheng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	589 - 591
a	13.7767 ± 0.0001 Å
b	7.9925 ± 0.0001 Å
c	21.249 ± 0.0002 Å
α	90°
β	93.149 ± 0.001°
γ	90°
Cell volume	2336.2 ± 0.04 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275358 (current)	2022-05-12	cif/ Adding structures of 8105228 via cif-deposit CGI script.	8105228.cif