Crystallography Open Database

Information card for entry 7224621

Preview

Coordinates	7224621.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tris-[dipyrido[3,2-a:23-c]phenazine]iron(II) diperchlorate
Formula	C54 H30 Cl2 Fe N12 O8
Calculated formula	C54 H30 Cl2 Fe N12 O8
Title of publication	Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)
Authors of publication	Kulmaczewski, Rafal; Halcrow, Malcolm A.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	14
Pages of publication	2570
a	24.6343 ± 0.0009 Å
b	21.2193 ± 0.0004 Å
c	18.1944 ± 0.0005 Å
α	90°
β	104.239 ± 0.003°
γ	90°
Cell volume	9218.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0637
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.6998 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181618 (current)	2016-04-05	cif/ Updating files of 7224614, 7224615, 7224616, 7224617, 7224618, 7224619, 7224620, 7224621, 7224622, 7224623, 7224624, 7224625 Original log message: Adding full bibliography for 7224614--7224625.cif.	7224621.cif
178290	2016-03-18	cif/ Adding structures of 7224614, 7224615, 7224616, 7224617, 7224618, 7224619, 7224620, 7224621, 7224622, 7224623, 7224624, 7224625 via cif-deposit CGI script.	7224621.cif