Crystallography Open Database

Information card for entry 4330283

Preview

Coordinates	4330283.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jg01c
Chemical name	jg01c
Formula	C123.61 H159.83 Br8 Fe4 N12 O5.31
Calculated formula	C123.616 H159.848 Br8 Fe4 N12 O5.308
Title of publication	Ligand-Based Reduction of CO2and Release of CO on Iron(II)
Authors of publication	Zachary Thammavongsy; Takele Seda; Lev N. Zakharov; Werner Kaminsky; John D. Gilbertson
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9168 - 9170
a	59.446 ± 0.004 Å
b	8.5306 ± 0.0006 Å
c	26.227 ± 0.002 Å
α	90°
β	102.078 ± 0.004°
γ	90°
Cell volume	13005.6 ± 1.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
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	0.132
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.215
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
179405 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/02.	4330283.cif
79535	2013-04-05	cif/ Adding structures of 4330283 via cif-deposit CGI script.	4330283.cif