Crystallography Open Database

Information card for entry 7250570

Preview

Coordinates	7250570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 S
Calculated formula	C23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 S
Title of publication	Influence of a spin crossover iron(iii) complex on the detection of phenylenediamines of graphene-modified screen printed electrodes
Authors of publication	Ali, Basharat; Boonprab, Theerapoom; Thammasangwan, Warisa; Kaewmorakot, Sittipong; Karuwan, Chanpen; Tuantranont, Adisorn; Chastanet, Guillaume; Harding, David J.; Harding, Phimphaka
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	26
Pages of publication	20760 - 20769
a	9.9536 ± 0.0006 Å
b	28.9081 ± 0.0017 Å
c	10.6554 ± 0.0006 Å
α	90°
β	109.24 ± 0.003°
γ	90°
Cell volume	2894.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
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	0.094
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300143 (current)	2025-06-20	cif/ Adding structures of 7250570 via cif-deposit CGI script.	7250570.cif