Crystallography Open Database

Information card for entry 4324474

Preview

Coordinates	4324474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H210 Fe9 N10 O8 S6 Si4
Calculated formula	C148 H210 Fe9 N10 O8 S6 Si4
Title of publication	Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes
Authors of publication	Michael J. Zdilla; Atul K. Verma; Sonny C. Lee
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1551 - 1562
a	25.5272 ± 0.0005 Å
b	21.9314 ± 0.0005 Å
c	30.2981 ± 0.0006 Å
α	90°
β	113.899 ± 0.001°
γ	90°
Cell volume	15508 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1151
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for all reflections	0.1686
Weighted residual factors for significantly intense reflections	0.1466
Goodness-of-fit parameter for all reflections	1.033
Goodness-of-fit parameter for significantly intense reflections	1.123
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
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324474.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324474.cif
41182	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324474 via cif-deposit CGI script.	4324474.cif