Crystallography Open Database

Information card for entry 7215865

Preview

Coordinates	7215865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.5 H57 Cl2.5 F3 Fe N12 O12.5 P0.5
Calculated formula	C65.5 H55 Cl2.5 F3 Fe N12 O12.5 P0.5
Title of publication	Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies
Authors of publication	Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6476
a	9.1075 ± 0.001 Å
b	33.618 ± 0.004 Å
c	11.0207 ± 0.0012 Å
α	90°
β	107.945 ± 0.002°
γ	90°
Cell volume	3210.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1352
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2049
Weighted residual factors for all reflections included in the refinement	0.2357
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	7215865.cif
119430	2014-07-07	cif/ Updating files of 7215861, 7215862, 7215863, 7215864, 7215865 Original log message: Adding full bibliography for 7215861--7215865.cif.	7215865.cif
113347	2014-05-11	cif/ Adding structures of 7215861, 7215862, 7215863, 7215864, 7215865 via cif-deposit CGI script.	7215865.cif