Crystallography Open Database

Information card for entry 1540033

Preview

Coordinates	1540033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H232 Cl8 Cu8 N16 O96 Zn8
Calculated formula	C88 H232 Cl8 Cu8 N16 O96 Zn8
Title of publication	Directed synthesis of {CuZn} and {CuZn} heterometallic complexes.
Authors of publication	Heras Ojea, María José; Wilson, Claire; Coles, Simon J.; Tuna, Floriana; Murrie, Mark
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	44
Pages of publication	19275 - 19281
a	26.5574 ± 0.0019 Å
b	26.5574 ± 0.0019 Å
c	13.1186 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9252.5 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1522
Residual factor for significantly intense reflections	0.09
Weighted residual factors for significantly intense reflections	0.2302
Weighted residual factors for all reflections included in the refinement	0.2549
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198667 (current)	2017-07-12	cif/1/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 1100147, 1101109, 1101141, 1500018, 1504625, 1505017, 1540032, 1540033, 1541802, 1541825, 1541826, 1541827, 1541865, 1541877.	1540033.cif
171212	2015-12-09	cif/ Updating files of 1540032, 1540033 Original log message: Adding full bibliography for 1540032--1540033.cif.	1540033.cif
169167	2015-10-15	cif/ Adding structures of 1540032, 1540033 via cif-deposit CGI script.	1540033.cif