Crystallography Open Database

Information card for entry 4003952

Preview

Coordinates	4003952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Br2 F2 N2 Pb
Calculated formula	C26 H20 Br2 F2 N2 Pb
Title of publication	Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer
Authors of publication	Rath, Bibhuti Bhusan; Vittal, Jagadese J.
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	12
Pages of publication	4621 - 4627
a	4.1022 ± 0.0002 Å
b	9.3957 ± 0.0005 Å
c	31.6556 ± 0.0015 Å
α	90°
β	90.237 ± 0.002°
γ	90°
Cell volume	1220.09 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0594
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.255
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
266968 (current)	2021-07-04	cif/ Updating files of 4003951, 4003952 Original log message: Adding full bibliography for 4003951--4003952.cif.	4003952.cif
265657	2021-06-02	cif/ Adding structures of 4003952 via cif-deposit CGI script.	4003952.cif