Crystallography Open Database

Information card for entry 4077537

Preview

Coordinates	4077537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Fe N6
Calculated formula	C10 H8 Fe N6
Title of publication	Synthesis, Structure, and Properties of 1,1‘-Diamino- and 1,1‘-Diazidoferrocene
Authors of publication	Shafir, Alexandr; Power, Maurice P.; Whitener, Glenn D.; Arnold, John
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	19
Pages of publication	3978
a	9.0587 ± 0.0002 Å
b	9.0587 ± 0.0002 Å
c	50.2953 ± 0.0008 Å
α	90 ± 0.001°
β	90 ± 0.001°
γ	90 ± 0.001°
Cell volume	4127.23 ± 0.14 Å³
Cell temperature	161.2 K
Ambient diffraction temperature	161.2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.045
Goodness-of-fit parameter for significantly intense reflections	1.022
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
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.	4077537.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077537.cif
54616	2012-04-28	cif/ Adding structures of 4077536, 4077537 via cif-deposit CGI script.	4077537.cif