Crystallography Open Database

Information card for entry 7042204

Preview

Coordinates	7042204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H56 Br2 N18 O12 Pt2
Calculated formula	C62 H60 Br2 N18 O12 Pt2
Title of publication	Self-assembly of dinuclear Pd(ii)/Pt(ii) metallacyclic receptors incorporating N-heterocyclic carbene complexes as corners.
Authors of publication	Marcos, Ismael; Domarco, Olaya; Peinador, Carlos; Fenández, Alberto; Fernández, Jesús J; Vázquez-García, Digna; García, Marcos D
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	13
Pages of publication	4182 - 4190
a	8.963 ± 0.0006 Å
b	12.0248 ± 0.001 Å
c	21.8681 ± 0.0016 Å
α	92.67 ± 0.007°
β	98.16 ± 0.005°
γ	111.839 ± 0.004°
Cell volume	2152.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1288
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2516
Weighted residual factors for all reflections included in the refinement	0.2707
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
195079 (current)	2017-04-05	cif/ Updating files of 7042204, 7042205 Original log message: Adding full bibliography for 7042204--7042205.cif.	7042204.cif
192474	2017-02-23	cif/ Adding structures of 7042204, 7042205 via cif-deposit CGI script.	7042204.cif