Crystallography Open Database

Information card for entry 7023807

Preview

Coordinates	7023807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H81 F12 Fe N16 O22.5 P2
Calculated formula	C63 H45 F6 Fe N11 O6.5 P
Title of publication	Multi-pyridine decorated Fe(ii) and Ru(ii) complexes by Pd(0)-catalysed cross couplings: new building blocks for metallosupramolecular assemblies.
Authors of publication	Yang, Jiajia; Clegg, Jack K.; Jiang, Qibai; Lui, Xiaoming; Yan, Hong; Zhong, Wei; Beves, Jonathon E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	44
Pages of publication	15625 - 15636
a	31.977 ± 0.004 Å
b	16.992 ± 0.002 Å
c	26.943 ± 0.003 Å
α	90°
β	106.844 ± 0.002°
γ	90°
Cell volume	14011 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1529
Residual factor for significantly intense reflections	0.0968
Weighted residual factors for significantly intense reflections	0.2683
Weighted residual factors for all reflections included in the refinement	0.3023
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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.	7023807.cif
90643	2013-11-18	cif/ Adding structures of 7023805, 7023806, 7023807, 7023808 via cif-deposit CGI script.	7023807.cif