Crystallography Open Database

Information card for entry 1572429

Preview

Coordinates	1572429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Fe2 N12 O8 Pd2 S4
Calculated formula	C38 H28 Fe2 N12 O8 Pd2 S4
Title of publication	CO<sub>2</sub>-actuated spin transition tuning in an interdigitated Hofmann-type coordination polymer.
Authors of publication	Paul, Abhik; Kosaka, Wataru; Kumar, Bhart; Mondal, Dibya Jyoti; Miyasaka, Hitoshi; Konar, Sanjit
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	38
Pages of publication	15610 - 15616
a	7.375 ± 0.0007 Å
b	21.731 ± 0.002 Å
c	14.3104 ± 0.0013 Å
α	90°
β	90.31 ± 0.003°
γ	90°
Cell volume	2293.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
295204 (current)	2024-10-06	cif/ Updating files of 1572429 Original log message: Adding full bibliography for 1572429.cif.	1572429.cif
294298	2024-08-31	cif/ Adding structures of 1572429 via cif-deposit CGI script.	1572429.cif