Crystallography Open Database

Information card for entry 7132836

Preview

Coordinates	7132836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H29 B Cl3 F4 N3 Pd S
Calculated formula	C45 H29 B Cl3 F4 N3 Pd S
Title of publication	Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.
Authors of publication	Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	31
Pages of publication	4190 - 4193
a	9.276 ± 0.008 Å
b	14.42 ± 0.02 Å
c	15.664 ± 0.013 Å
α	112.75 ± 0.04°
β	91.73 ± 0.03°
γ	91.28 ± 0.03°
Cell volume	1930 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.4144 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291540 (current)	2024-05-05	cif/ Updating files of 7132834, 7132835, 7132836, 7132837, 7132838, 7132839, 7132840 Original log message: Adding full bibliography for 7132834--7132840.cif.	7132836.cif
290459	2024-03-13	cif/ Adding structures of 7132834, 7132835, 7132836, 7132837, 7132838, 7132839, 7132840 via cif-deposit CGI script.	7132836.cif