Crystallography Open Database

Information card for entry 7032835

Preview

Coordinates	7032835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H42.4 Cl Fe2 I4 N10 O5 S2
Calculated formula	C67.5 H45 Cl Fe2 I4 N10 O5 S2
Title of publication	Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.
Authors of publication	Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	46
Pages of publication	17509 - 17518
a	20.8247 ± 0.001 Å
b	23.9937 ± 0.0011 Å
c	12.6558 ± 0.0005 Å
α	90°
β	91.107 ± 0.001°
γ	90°
Cell volume	6322.4 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0856
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7032835.cif
126393	2014-11-06	cif/ Updating files of 7032829, 7032830, 7032831, 7032832, 7032833, 7032834, 7032835 Original log message: Adding full bibliography for 7032829--7032835.cif.	7032835.cif
125530	2014-10-18	cif/ Adding structures of 7032829, 7032830, 7032831, 7032832, 7032833, 7032834, 7032835 via cif-deposit CGI script.	7032835.cif