Crystallography Open Database

Information card for entry 4077536

Preview

Coordinates	4077536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Fe N2
Calculated formula	C10 H12 Fe N2
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	7.3909 ± 0.0006 Å
b	10.357 ± 0.0008 Å
c	11.6657 ± 0.0004 Å
α	88.13 ± 0.001°
β	77.995 ± 0.001°
γ	88.089 ± 0.001°
Cell volume	872.66 ± 0.1 Å³
Cell temperature	125.2 K
Ambient diffraction temperature	125.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0386
Goodness-of-fit parameter for significantly intense reflections	1.848
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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.	4077536.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077536.cif
54616	2012-04-28	cif/ Adding structures of 4077536, 4077537 via cif-deposit CGI script.	4077536.cif