Crystallography Open Database

Information card for entry 4123359

Preview

Coordinates	4123359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H30 Fe3 O18
Calculated formula	C54 H30 Fe3 O18
Title of publication	Structure-assisted functional anchor implantation in robust metal-organic frameworks with ultralarge pores.
Authors of publication	Park, Jihye; Feng, Dawei; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	4
Pages of publication	1663 - 1672
a	24.688 ± 0.004 Å
b	18.375 ± 0.003 Å
c	35.257 ± 0.006 Å
α	90°
β	90.345 ± 0.002°
γ	90°
Cell volume	15994 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.1117
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1
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
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123359.cif
132873	2015-03-04	cif/ Updating files of 4123359 Original log message: Adding full bibliography for 4123359.cif.	4123359.cif
130580	2015-02-04	cif/ Adding structures of 4123359 via cif-deposit CGI script.	4123359.cif