Crystallography Open Database

Information card for entry 7215547

Preview

Coordinates	7215547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H68 Cu2 N4 O14
Calculated formula	C60 H68 Cu2 N4 O14
Title of publication	Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions
Authors of publication	Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	657 - 662
a	16.2898 ± 0.0008 Å
b	7.7309 ± 0.0004 Å
c	22.0964 ± 0.0011 Å
α	90°
β	104.532 ± 0.002°
γ	90°
Cell volume	2693.7 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.03
Weighted residual factors for all reflections	0.0558
Weighted residual factors for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.031
Goodness-of-fit parameter for all reflections included in the refinement	1.1162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7200543
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218489 (current)	2019-09-18	cif/7/21/55/ Marked entries 7215547-7215549 as duplicate of entries 7200543-7200545.	7215547.cif
218488	2019-09-18	cif/7/21/55/ Updated bibliographic information in entries 7215547-7215549.	7215547.cif
180486	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/55.	7215547.cif
112518	2014-05-02	cif/ Adding structures of 7215547, 7215548, 7215549 via cif-deposit CGI script.	7215547.cif