Crystallography Open Database

Information card for entry 7027100

Preview

Coordinates	7027100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H73 Br6 N15 O5 Pb3
Calculated formula	C54 H63 Br6 N15 O4.99 Pb3
Title of publication	Lead complexation by novel phenanthroline-containing macrocycles †
Authors of publication	Bazzicalupi, Carla; Bencini, Andrea; Fusi, Vieri; Giorgi, Claudia; Paoletti, Piero; Valtancoli, Barbara
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	3
Pages of publication	393
a	11.26 ± 0.005 Å
b	14.25 ± 0.005 Å
c	21.475 ± 0.005 Å
α	74.23 ± 0.005°
β	79.33 ± 0.005°
γ	83.72 ± 0.005°
Cell volume	3252 ± 2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.1212
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for all reflections	0.1499
Weighted residual factors for significantly intense reflections	0.1216
Goodness-of-fit parameter for all reflections	1.03
Goodness-of-fit parameter for significantly intense reflections	1.072
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7027100.html