Crystallography Open Database

Information card for entry 4102056

4102055 << 4102056 >> 4102057

Preview

Coordinates	4102056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H21 Fe N19 Ni2 O2 S8
Calculated formula	C39 H21 Fe N19 Ni2 O2 S8
Title of publication	Multiple Bistability and Tristability with Dual Spin-State Conversions in [Fe(dpp)2][Ni(mnt)2]2.MeNO2
Authors of publication	Masayuki Nihei; Hirotaka Tahira; Nobukazu Takahashi; Yusuke Otake; Yasuhisa Yamamura; Kazuya Saito; Hiroki Oshio
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3553 - 3560
a	18.397 ± 0.009 Å
b	19.306 ± 0.009 Å
c	21.597 ± 0.01 Å
α	97.65 ± 0.01°
β	95.067 ± 0.009°
γ	104.091 ± 0.008°
Cell volume	7315 ± 6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.161
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2066
Weighted residual factors for all reflections included in the refinement	0.2548
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178766 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/20.	4102056.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4102056.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102056.cif
24878	2011-09-08	../uploads/cif-deposit/cod/cif Adding structures of 4102056 via cif-deposit CGI script.	4102056.cif