Crystallography Open Database

Information card for entry 4348634

Preview

Coordinates	4348634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H61 Cl2 N8 Tb
Calculated formula	C90 H60 Cl2 N8 Tb
Title of publication	Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.
Authors of publication	Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8935 - 8942
a	21.495 ± 0.004 Å
b	21.68 ± 0.004 Å
c	31.325 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	14598 ± 5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233203 (current)	2019-11-23	cif/ Adding structures of 4348625, 4348626, 4348627, 4348628, 4348629, 4348630, 4348631, 4348632, 4348633, 4348634 via cif-deposit CGI script.	4348634.cif