Crystallography Open Database

Information card for entry 4301051

Preview

Coordinates	4301051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H62 B F5 Fe N6 S
Calculated formula	C40 B F5 Fe N6 S
SMILES	[Fe]12(Sc3c(F)c(F)c(F)c(F)c3F)[n]3[n](c(cc3C(C)C)C(C)C)[BH]([n]3[n]1c(C(C)C)cc3C(C)C)[n]1[n]2c(C(C)C)cc1C(C)C.CCCCCCC
Title of publication	Structural and Spectroscopic Characterization of First-Row Transition Metal(II) Substituted Blue Copper Model Complexes with Hydrotris(pyrazolyl)borate+
Authors of publication	Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Miyashita, Yoshitaro; Okamoto, Ken-ichi
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	325 - 335
a	21.843 ± 0.011 Å
b	9.461 ± 0.004 Å
c	21.893 ± 0.011 Å
α	90°
β	99.35 ± 0.007°
γ	90°
Cell volume	4464.5 ± 3.6 Å³
Cell temperature	212.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Duplicate of	4308438
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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