Crystallography Open Database

Information card for entry 4335896

Preview

Coordinates	4335896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H90 Cu9 F24 N46 O4 P4
Calculated formula	C136 H90 Cu9 F24 N46 O4 P4
Title of publication	Multiredox Active [3 x 3] Copper Grids
Authors of publication	Hiroki Sato; Lisa Miya; Kiyotaka Mitsumoto; Takuto Matsumoto; Takuya Shiga; Graham N. Newton; Hiroki Oshio
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9714 - 9716
a	28.489 ± 0.01 Å
b	17.429 ± 0.006 Å
c	30.812 ± 0.011 Å
α	90°
β	113.184 ± 0.005°
γ	90°
Cell volume	14064 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1498
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.1887
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179461 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/58.	4335896.cif
101849	2014-02-18	cif/ Adding structures of 4335896 via cif-deposit CGI script.	4335896.cif