Crystallography Open Database

Information card for entry 4340649

Preview

Coordinates	4340649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.25 H21.5 B Cl0.5 Fe N6
Calculated formula	C36.2496 H21 B Cl0.5 Fe N6
Title of publication	Redox and photoinduced electron-transfer properties in short distance organoboryl ferrocene-subphthalocyanine dyads.
Authors of publication	Maligaspe, Eranda; Hauwiller, Matthew R.; Zatsikha, Yuriy V.; Hinke, Jonathan A.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9336 - 9347
a	13.2281 ± 0.0008 Å
b	13.6458 ± 0.0009 Å
c	19.1772 ± 0.0014 Å
α	71.365 ± 0.005°
β	89.078 ± 0.006°
γ	71.701 ± 0.005°
Cell volume	3100.6 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4340649.cif
122930	2014-09-06	cif/ Updating files of 4340648, 4340649 Original log message: Adding full bibliography for 4340648--4340649.cif.	4340649.cif
121991	2014-08-18	cif/ Adding structures of 4340648, 4340649 via cif-deposit CGI script.	4340649.cif