Crystallography Open Database

Information card for entry 8106996

Preview

Coordinates	8106996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H64 N4 O16 Pr2 S4
Calculated formula	C94 H64 N4 O16 Pr2 S4
Title of publication	Crystal structure of the poly[(μ4-biphenyl-4,4′-dicarboxylato-κ4 O:O′:O′′:O′′′) bis(μ3-8-(11-(oxysulfonyl)-4-silbenyl)-2-(oxysulfonyl)stilbene-κ4 O:O′:O′′,O′′′) bis(1,10-phenanthroline-k2 N,N′) dipraseodymium(III)], C94H64N4O16Pr2S4
Authors of publication	Qiao, Mu; Wang, Dehui; Lin-ping, Sun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	751 - 753
a	13.174 ± 0.003 Å
b	21.479 ± 0.004 Å
c	17.797 ± 0.006 Å
α	90°
β	124.23 ± 0.02°
γ	90°
Cell volume	4164 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1144
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
282203 (current)	2023-04-03	cif/ Adding structures of 8106996 via cif-deposit CGI script.	8106996.cif