Crystallography Open Database

Information card for entry 7012378

Preview

Coordinates	7012378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H102 Fe6 Mn13 O50
Calculated formula	C86 H78 Fe6 Mn13 O50
Title of publication	A new nano-scale ferrocene assembly supported by a supercubane framework
Authors of publication	Kondo, Mitsuru; Shinagawa, Reiko; Miyazawa, Makoto; Kabir, Md. Khayrul; Irie, Yasuhiko; Horiba, Tomonori; Naito, Tetsuyoshi; Maeda, Kenji; Utsuno, Shunji; Uchida, Fumio
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	4
Pages of publication	515
a	13.998 ± 0.004 Å
b	14.616 ± 0.004 Å
c	15.415 ± 0.004 Å
α	63.32 ± 0.01°
β	74.33 ± 0.01°
γ	79.72 ± 0.01°
Cell volume	2707.3 ± 1.3 Å³
Cell temperature	233.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.398
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7012378.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012378.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012378.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012378.cif