Crystallography Open Database

Information card for entry 4348625

Preview

Coordinates	4348625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H61 Cl12 N8 Tb
Calculated formula	C92 H61 Cl12 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	16.052 ± 0.003 Å
b	17.128 ± 0.003 Å
c	30.019 ± 0.006 Å
α	90°
β	91.77 ± 0.03°
γ	90°
Cell volume	8249 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
233203 (current)	2019-11-23	cif/ Adding structures of 4348625, 4348626, 4348627, 4348628, 4348629, 4348630, 4348631, 4348632, 4348633, 4348634 via cif-deposit CGI script.	4348625.cif