Crystallography Open Database

Information card for entry 4318225

Preview

Coordinates	4318225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 Cl4 Cr N6 S34
Calculated formula	C53.988 H31.992 Cl4 Cr N6 S33.99
Title of publication	New Tetrathiapentalene-Derived Charge Transfer Salts with Paramagnetic Transition Metal Complex Anion: κ-(EDDH-TTP)3[Cr(phen)(NCS)4].2CH2Cl2 and κ21-(BDH-TTP)5[Cr(phen)(NCS)4]2.2CH2Cl2
Authors of publication	Fatima Setifi; Lahcène Ouahab; Stéphane Golhen; Olivier Hernandez; Akira Miyazaki; Toshiaki Enoki; Takashi Toita; Jun-ichi Yamada; Hiroyuki Nishikawa; Andrzej Łapiński; Roman Świetlik
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3761 - 3768
a	25.0752 ± 0.0005 Å
b	10.6732 ± 0.00029 Å
c	28.1601 ± 0.00059 Å
α	90°
β	95.1951 ± 0.0016°
γ	90°
Cell volume	7505.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.2034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4318225.html