Crystallography Open Database

Information card for entry 4350639

Preview

Coordinates	4350639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H56 Cl2 N8 O4 Rh4
Calculated formula	C93 H56 Cl2 N8 O4 Rh4
SMILES	c1c2[c]34c5C(=c6ccc7C(=c8ccc9=C(c%10ccc(=C2c2ccccc2)[n]%10[Rh]23([n]67)(n89)[Rh]364([c]47c8cn([Rh](n15)(C#[O])C#[O])c4C(=c1ccc4C(=c5ccc9=C(c%10ccc(=C8c8ccccc8)[n]%10[Rh]37([n]14)(n59)C6=O)c1ccccc1)c1ccccc1)c1ccccc1)C2=O)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Unprecedented formation of a rhodium cluster triggered by rhodium-fastened N-confused gable porphyrin.
Authors of publication	Toganoh, Motoki; Niino, Teppei; Maeda, Hiromitsu; Andrioletti, Bruno; Furuta, Hiroyuki
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10428 - 10430
a	14.374 ± 0.006 Å
b	24.425 ± 0.01 Å
c	22.097 ± 0.01 Å
α	90°
β	102.66 ± 0.04°
γ	90°
Cell volume	7569 ± 6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
239975 (current)	2019-11-25	cif/ Adding structures of 4350639 via cif-deposit CGI script.	4350639.cif