Crystallography Open Database

Information card for entry 4509972

Preview

Coordinates	4509972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H132 N4 O8
Calculated formula	C76 H132 N4 O8
Title of publication	High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed
Authors of publication	Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	11
a	9.292 ± 0.0019 Å
b	18.94 ± 0.004 Å
c	22.831 ± 0.005 Å
α	90°
β	90.94 ± 0.03°
γ	90°
Cell volume	4017.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1453
Residual factor for significantly intense reflections	0.0983
Weighted residual factors for significantly intense reflections	0.2727
Weighted residual factors for all reflections included in the refinement	0.3475
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509972.cif
104156	2014-03-10	cif/ Adding structures of 4509970, 4509971, 4509972, 4509973 via cif-deposit CGI script.	4509972.cif